0 B12R1.8 C1=CC=C(C=C1)C=CCOC=O C102138 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.8 C1=CC=C(C=C1)CCCN=C=O B301366 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 CCOC=NC1=CC=CC=C1 E156427 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 V162950 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103904 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103906 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O E404888 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O P189036 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P160206 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P422720 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N P304341 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.337 C1=CC=C(C=C1)COCCC(=O)O B340507 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.337 C1=CC=C(C=C1)OCCCC(=O)O P114446 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 B464409 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C111357 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C420427 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 E588097 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P135656 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P140972 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B110381 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B110382 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B110383 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B110385 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B119538 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 B474126 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 P107716 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 T123393 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 T124063 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.3 C1=CC=C(C=C1)C2=CC=NC=C2 P117997 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.3 C1=CC=C(C=C1)C2=CN=CC=C2 P111392 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.3 C1=CC=C(C=C1)C2=NC=NC=C2 P339064 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.3 C1CCC(=CC1)C2=CC=CC=C2 P134539 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.3 C1CNCC=C1C2=CC=CC=C2 T162101 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.15 C1=CC=C(C=C1)C2=C(NN=C2)N A170987 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.15 C1CC(=O)N(C1)C2=CC=CC=C2 P160366 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.15 CC1=C(C=NN1)C2=CC=CC=C2 M478685 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.1613 C1=CC2=C(C(=C1)C=O)N=CC=C2 Q123921 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.1613 C1=CC2=C(C=NC=C2)C(=C1)C=O I186636 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.1613 C1=CC=C2C(=C1)C(=CC=N2)C=O Q123539 [0,0,0,1,0,0|2,0,1]=4 45 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O N111813 [0,0,0,1,0,0|1,0,1]=3 46 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2C=O I589155 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.1613 C1=CC=C2C(=C1)C=NC=C2C=O I123206 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.1613 C=CC1=CC=CC2=CC=CC=C21 V136897 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.5252 C1CCC(=O)C2=CC=CC=C2C1 T162135 [0,0,0,1,0,0|1,0,2]=4 50 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.17 C1=CC=C(C=C1)C#CCO P111395 [2,0,0,0,0,0|0,0,2]=4 53 B10R1.17 C1=CC=C(C=C1)C=CC#N C107581 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [2,0,0,0,0,0|0,0,0]=2 56 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [2,0,0,0,0,0|0,0,0]=2 57 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [2,0,0,0,0,0|0,0,0]=2 59 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [2,0,0,0,0,0|0,0,0]=2 63 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [2,0,0,0,0,0|0,0,0]=2 64 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [2,0,0,0,0,0|0,0,1]=3 65 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [2,0,0,0,0,0|0,0,2]=4 66 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [2,0,0,0,0,0|0,0,0]=2 69 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [2,0,0,0,0,0|1,0,1]=4 73 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [2,0,0,0,0,0|1,0,1]=4 76 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [2,0,0,0,0,0|0,0,1]=3 78 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 C=COCC1=CC=CC=C1 B178307 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.17 CCOCC1=CC=CC=C1 E193820 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.17 COCCC1=CC=CC=C1 P160567 [2,0,0,0,0,0|0,0,2]=4 85 B10R1.17 COCSC1=CC=CC=C1 M158419 [2,0,0,0,0,0|1,0,1]=4 86 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [1,1,0,0,0,0|0,0,2]=4 88 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 A151101 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [1,1,0,0,0,0|0,0,0]=2 91 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [1,1,0,0,0,0|0,0,1]=3 102 B14R1.420 C1=CC=C(C=C1)C(=O)CCCC(=O)O B152463 [0,2,0,0,0,0|1,0,1]=4 103 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B129562 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B423509 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A135568 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 E102004 [0,2,0,0,0,0|1,0,1]=4 107 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 E298587 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 P404966 [0,2,0,0,0,0|1,0,1]=4 109 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 C117793 [0,2,0,0,0,0|0,0,0]=2 110 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N S352635 [0,2,0,0,0,0|1,0,0]=3 111 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O I106884 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O B152938 [1,0,0,1,0,0|1,0,1]=4 113 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 P588646 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 P123203 [1,0,0,1,0,0|0,1,1]=4 115 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 P135879 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.2 C1=CC=C(C=C1)C2=CSC=C2 P160670 [1,0,0,1,0,0|0,1,1]=4 117 B12R2.1081 C1=CC2=C(C=CNC2=O)N=C1 N588319 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 Q160821 [1,0,0,1,0,0|1,0,1]=4 119 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 C170570 [1,0,0,1,0,0|1,0,1]=4 120 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 H157172 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 B107666 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Br B109259 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Cl C104849 [1,0,0,1,0,0|1,0,1]=4 124 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Cl C104850 [1,0,0,1,0,0|1,0,1]=4 125 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F F115808 [1,0,0,1,0,0|1,0,1]=4 126 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2I I108083 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N103784 [1,0,0,1,0,0|1,0,1]=4 128 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N103786 [1,0,0,1,0,0|1,0,1]=4 129 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N108419 [1,0,0,1,0,0|1,0,1]=4 130 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N108420 [1,0,0,1,0,0|1,0,1]=4 131 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N103797 [1,0,0,1,0,0|0,0,2]=4 132 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N103798 [1,0,0,1,0,0|0,0,2]=4 133 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N128915 [1,0,0,1,0,0|0,0,2]=4 134 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br B120013 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl C103592 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl C598621 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2I I157443 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2N A122683 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.1081 C1=CC=C2C(=C1)C=CNC2=O I119399 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.1081 C1=CC=C2C(=C1)C=NNC2=O P138088 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.1081 C1=CNC(=O)C2=C1C=NC=C2 N590231 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [1,0,0,1,0,0|0,0,2]=4 143 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [1,0,0,1,0,0|1,0,1]=4 144 B12R2.1081 C1CNC2=CC=CC=C2C1=O D303708 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.1081 C1CNC2=CC=CC=C2C1=O D589973 [1,0,0,1,0,0|1,0,1]=4 146 B12R2.1081 C1COC(=O)C2=CC=CC=C21 I157658 [1,0,0,1,0,0|0,0,1]=3 147 B12R2.1081 C1COC2=CC=CC=C2C1=O C115094 [1,0,0,1,0,0|1,0,1]=4 148 B12R2.1081 C1CSC2=CC=CC=C2C1=O T169842 [1,0,0,1,0,0|1,0,1]=4 149 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104855 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104856 [1,0,0,1,0,0|1,0,1]=4 151 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104858 [1,0,0,1,0,0|1,0,1]=4 152 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M190561 [1,0,0,1,0,0|1,0,1]=4 153 B12R2.1081 CC1=NC=CC2=CC=CC=C12 M157781 [1,0,0,1,0,0|2,0,0]=4 154 B14R2.926 C1=CC(=CC=C1C2=C(ON=C2)N)Br A469860 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.8 C1=CC=C(C=C1)C2=CC=C(O2)C=O P119115 [0,1,0,1,0,0|1,0,1]=4 156 B14R2.8 C1=CC=C(C=C1)C2=CC=C(S2)C=O P168228 [0,1,0,1,0,0|1,0,1]=4 157 B14R2.8 C1=CC=C(C=C1)C2=CSC(=C2)C=O P468117 [0,1,0,1,0,0|2,0,0]=4 158 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2O)C=O H472630 [0,1,0,1,0,0|1,0,1]=4 159 B14R2.1131 CC1=CC=C(C2=CC=CC=C12)C=O M300775 [0,1,0,1,0,0|1,0,1]=4 160 B14R2.24 C1=CC=C(C=C1)C2=NC=CNC2=O P194796 [0,1,0,1,0,0|1,0,1]=4 161 B14R2.24 C1COCC(=O)N1C2=CC=CC=C2 P192582 [0,1,0,1,0,0|1,0,1]=4 162 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2NC=O N159410 [0,1,0,1,0,0|1,0,1]=4 163 B14R2.112 C1=CC=C2C=C(C=CC2=C1)NC=O N342073 [0,1,0,1,0,0|1,0,1]=4 164 B14R2.203 C1=CC=C2C(=C1)C=CC(=C2C=O)O H106363 [0,1,0,1,0,0|1,0,1]=4 165 B14R2.203 CC1=C(C2=CC=CC=C2C=C1)C=O M469126 [0,1,0,1,0,0|1,0,1]=4 166 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O P120234 [0,1,0,1,0,0|0,0,1]=3 167 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [0,1,0,1,0,0|0,0,2]=4 168 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [0,1,0,1,0,0|0,0,2]=4 169 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [0,1,0,1,0,0|0,0,2]=4 170 B14R2.277 C1CC(=O)N(C1=O)C2=CC=CC=C2 N159129 [0,1,0,1,0,0|2,0,0]=4 171 B14R2.2 C1=CC=C2C(=C1)C=CN2CC(=O)O I157600 [0,1,0,1,0,0|2,0,0]=4 172 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 I107160 [0,1,0,1,0,0|1,0,1]=4 173 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)Cl N101692 [0,1,0,1,0,0|1,0,1]=4 174 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)O N106387 [0,1,0,1,0,0|1,0,1]=4 175 B14R2.31359 C1=CC=C2C(=C1)C=CN=C2C(=O)O I111156 [0,1,0,1,0,0|2,0,0]=4 176 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 A105215 [0,1,0,1,0,0|1,0,1]=4